input word = C00052307

Metabolite InformationStructural formula
Name Haplosinine
Formula C25H31NO13
Mw 553.17954009
CAS RN 115345-33-0
C_ID C00052307
InChIKey UKJOUZLGIHETHT-QGKIOJNKSA-N
InChICode InChI=1S/C25H31NO13/c1-9-15(28)22(39-24-18(31)17(30)16(29)13(8-27)38-24)19(32)25(36-9)37-12-5-4-10-14(21(12)34-3)26-23-11(6-7-35-23)20(10)33-2/h4-7,9,13,15-19,22,24-25,27-32H,8H2,1-3H3/t9-,13+,15-,16+,17-,18+,19+,22+,24-,25-/m0/s1
SMILES COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)ccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum perforatum Ref.
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OrganismHaplophyllum perforatum
ReferenceNatural Products Vol.1 ISBN978-3-642-22143-9